2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid

C11H11F3O4 — CID 106704428

IUPAC2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCOCC(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c12-11(13,14)6-17-7-18-9-3-1-2-8(4-9)5-10(15)16/h1-4H,5-7H2,(H,15,16)
InChIKeyBJGVHISSHXORTD-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.23
Rot. Bonds6

About 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid

2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid (PubChem CID 106704428) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
PubChem CID106704428
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCOCC(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c12-11(13,14)6-17-7-18-9-3-1-2-8(4-9)5-10(15)16/h1-4H,5-7H2,(H,15,16)
InChIKeyBJGVHISSHXORTD-UHFFFAOYSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
3-(2,2,2-trifluoroethoxymethoxy)phenol
CID 106705299
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-(2,2,2-trifluoroacetyl)oxyphenyl]acetic acid
CID 54390666
2-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]acetic acid
CID 61492419
2-[3-[2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]ethoxy]phenyl]acetic acid
CID 11619007
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-[3-(1,1-difluoro-2-methylpropoxy)phenyl]acetic acid
CID 70526950

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid (CID 106704428) is 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid is O=C(O)Cc1cccc(OCOCC(F)(F)F)c1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid?
The InChIKey is BJGVHISSHXORTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c12-11(13,14)6-17-7-18-9-3-1-2-8(4-9)5-10(15)16/h1-4H,5-7H2,(H,15,16).
What are the key properties of 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid?
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid has a molecular weight of 264.20 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid is sourced from PubChem (CID 106704428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).